기본 정보
- CAS
330848-77-6- 표준 SMILES
CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)ccc1O- InChIKey
PQWQITBQKOXZAS-UHFFFAOYSA-N- 분자식
- C22H22N2O7
- 평균 분자량
- 426.4 g/mol
이름 및 식별자
- 우선 이름
- 1,3-Benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- 1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- 분자식
- C22H22N2O7
- 분자량
- 426.41928
이름 및 동의어
CHEMBL55903571,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate1,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateChemDiv1_002223Oprea1_440082HMS593F01STK363625AKOS001607545AKOS0220655841,3-benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateEU-0037054AG-205/37136062
이름 더 보기
SR-01000422538SR-01000422538-1330848-77-6benzo[d][1,3]dioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
데이터베이스 식별자
- CAS
330848-77-6- ChEMBL
CHEMBL5590357
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 712
화학 및 산업
공급사1 곳
SPECS[email protected]
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